Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMIKDIRFWVCVIGIVILGFLSGLLSGNPGKYYYSLQLPPFAPPSWIFGPMWTLLYILMGISLYLLLNHNNKKQRNNLVGLFVIQFIFNFIWSALFFNLRNIFIAAIDITLLVIFLSVLMYQLWLHHRLAMWLMIPYYLWVLFATLLNYSIYFLN 4RYI Chain:A ((45-181)) ------------------LFYVSSVLFPIDRTWYDALEKPSWTPPGMTIGMIWAVLFGLIALSVAIIYNNYGFKPKT-FWFLFLLNYIFNQAFSYFQFSQKNLFLATVDCLLVAITTLLLIMFSSNLSKVSAWLLIPYFLWSAFATYLSWTIYSIN

General information: TITO was launched using: RESULT: Template: 4RYI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 526 -108937 -207.10 -795.16 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -207.10 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_4RYI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RYI-query.scw PDB file : Tito_Scwrl_4RYI.pdb: